data_16113 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; H, 13C, and 15N Chemical Shift Assignments of Protein yppE from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR213 ; _BMRB_accession_number 16113 _BMRB_flat_file_name bmr16113.str _Entry_type original _Submission_date 2009-01-09 _Accession_date 2009-01-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 SINGARAPU Kiran K. . 3 Parish David . . 4 Eletsky Alexandre . . 5 Xu Duanxiang . . 6 HO 'Chi Kent' . . 7 Fang Yinyi . . 8 CUNNINGHAM Kellie . . 9 MA Li-Chung . . 10 Xiao Rong . . 11 Liu Jinfeng . . 12 Baran Michael G. . 13 Swapna G.V.T . . 14 Acton Thomas B. . 15 Rost Burkhard . . 16 Montelione Gaetano T. . 17 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 674 "13C chemical shifts" 388 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-06-11 update BMRB 'added time domain data' 2009-03-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR Structure of Protein yppE from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR213' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 Singarapu Kiran K. . 3 Montelione Gaetano T. . 4 Szyperski Thomas . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name yppe _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label yppe $yppe stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_yppe _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common yppe _Molecular_mass . _Mol_thiol_state 'all free' _Details 'equilibrium with transit dimer' ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; MLSQTLLEMTEQMIEVAEKG ADRYQEGKNSNHSYDFFETI KPAVEENDELAARWAEGALE LIKVRRPKYVHKEQIEAVKD NFLELVLQSYVHHIHKKRFK DITESVLYTLHAVKDEIARE DSRLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 SER 4 GLN 5 THR 6 LEU 7 LEU 8 GLU 9 MET 10 THR 11 GLU 12 GLN 13 MET 14 ILE 15 GLU 16 VAL 17 ALA 18 GLU 19 LYS 20 GLY 21 ALA 22 ASP 23 ARG 24 TYR 25 GLN 26 GLU 27 GLY 28 LYS 29 ASN 30 SER 31 ASN 32 HIS 33 SER 34 TYR 35 ASP 36 PHE 37 PHE 38 GLU 39 THR 40 ILE 41 LYS 42 PRO 43 ALA 44 VAL 45 GLU 46 GLU 47 ASN 48 ASP 49 GLU 50 LEU 51 ALA 52 ALA 53 ARG 54 TRP 55 ALA 56 GLU 57 GLY 58 ALA 59 LEU 60 GLU 61 LEU 62 ILE 63 LYS 64 VAL 65 ARG 66 ARG 67 PRO 68 LYS 69 TYR 70 VAL 71 HIS 72 LYS 73 GLU 74 GLN 75 ILE 76 GLU 77 ALA 78 VAL 79 LYS 80 ASP 81 ASN 82 PHE 83 LEU 84 GLU 85 LEU 86 VAL 87 LEU 88 GLN 89 SER 90 TYR 91 VAL 92 HIS 93 HIS 94 ILE 95 HIS 96 LYS 97 LYS 98 ARG 99 PHE 100 LYS 101 ASP 102 ILE 103 THR 104 GLU 105 SER 106 VAL 107 LEU 108 TYR 109 THR 110 LEU 111 HIS 112 ALA 113 VAL 114 LYS 115 ASP 116 GLU 117 ILE 118 ALA 119 ARG 120 GLU 121 ASP 122 SER 123 ARG 124 LEU 125 GLU 126 HIS 127 HIS 128 HIS 129 HIS 130 HIS 131 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2HFI "Solution Nmr Structure Of Protein Yppe From Bacillus Subtilis. Northeast Structural Genomics Consortium Target Sr213" 100.00 131 100.00 100.00 7.00e-89 PDB 2IM8 "X-ray Crystal Structure Of Protein Yppe From Bacillus Subtilis. Northeast Structural Genomics Consortium Target Sr213" 99.24 131 98.46 98.46 1.03e-85 DBJ BAI85724 "hypothetical protein BSNT_08621 [Bacillus subtilis subsp. natto BEST195]" 90.08 118 99.15 100.00 1.28e-78 DBJ BAM52709 "hypothetical protein BEST7613_3778 [Bacillus subtilis BEST7613]" 84.73 111 100.00 100.00 1.37e-73 DBJ BAM58284 "hypothetical protein BEST7003_2083 [Bacillus subtilis BEST7003]" 93.89 123 100.00 100.00 4.93e-83 DBJ GAK79397 "hypothetical protein BSMD_013050 [Bacillus subtilis Miyagi-4]" 93.89 123 100.00 100.00 4.93e-83 EMBL CAB14144 "conserved hypothetical protein [Bacillus subtilis subsp. subtilis str. 168]" 93.89 123 100.00 100.00 4.93e-83 EMBL CCU58728 "hypothetical protein BSUBE1_2097 [Bacillus subtilis E1]" 93.89 123 99.19 99.19 2.15e-82 EMBL CEI57439 "hypothetical protein BS49_24550 [Bacillus subtilis]" 93.89 123 100.00 100.00 4.93e-83 EMBL CEJ77864 "hypothetical protein BS34A_24550 [Bacillus sp.]" 93.89 123 100.00 100.00 4.93e-83 EMBL CJT23466 "Bacterial domain of uncharacterised function (DUF1798) [Streptococcus pneumoniae]" 93.89 123 97.56 98.37 9.71e-81 GB AAB38463 "putative [Bacillus subtilis subsp. subtilis str. 168]" 93.89 123 100.00 100.00 4.93e-83 GB ADV92956 "hypothetical protein BSn5_01610 [Bacillus subtilis BSn5]" 93.89 123 97.56 97.56 1.55e-80 GB AEP91245 "YppE [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 93.89 123 100.00 100.00 4.93e-83 GB AFQ58175 "YppE [Bacillus subtilis QB928]" 93.89 123 100.00 100.00 4.93e-83 GB AGA23534 "Hypothetical protein YppE [Bacillus subtilis subsp. subtilis str. BSP1]" 93.89 123 100.00 100.00 4.93e-83 REF NP_390109 "hypothetical protein BSU22270 [Bacillus subtilis subsp. subtilis str. 168]" 93.89 123 100.00 100.00 4.93e-83 REF WP_003246080 "MULTISPECIES: hypothetical protein [Bacillus]" 93.89 123 100.00 100.00 4.93e-83 REF WP_015483369 "hypothetical protein [Bacillus subtilis]" 93.89 123 98.37 100.00 8.52e-82 REF WP_015714151 "hypothetical protein [Bacillus subtilis]" 93.89 123 97.56 97.56 1.55e-80 REF WP_017696991 "hypothetical protein [Bacillus subtilis]" 93.89 123 98.37 98.37 4.06e-81 SP P50833 "RecName: Full=Uncharacterized protein YppE" 93.89 123 100.00 100.00 4.93e-83 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $yppe 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $yppe 'recombinant technology' . Escherichia coli . 'pET 21-23C' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'MC2023 -- 1X protease inhibitors, 10mM DTT, 50mM Arginine, 50mM Bis-Tris pH 6.5, 10% D2O, 50uM DSS, 0.02% NaN3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $yppe 0.94 mM 'natural abundance' DTT 10 mM 'natural abundance' Arginine 50 mM 'natural abundance' 'Bis-Tris pH 6.5' 50 mM 'natural abundance' DSS 50 uM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version . loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis' refinement stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' 'peak picking' refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_SIMULTANEOUS_HETERONUCLEAR_RESOLVED_[1H,1H]-NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_GFT_(4,3)D_HNNCABCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HNNCABCA' _Sample_label $sample_1 save_ save_GFT_(4,3)D_CABCA(CO)NHN_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D CABCA(CO)NHN' _Sample_label $sample_1 save_ save_GFT_(4,3)_HCCH_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3) HCCH' _Sample_label $sample_1 save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HABCONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HABCONH _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XEASY stop_ loop_ _Experiment_label 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' 'GFT (4,3)D HNNCABCA' 'GFT (4,3)D CABCA(CO)NHN' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name yppe _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 LEU HA H 4.23 . 1 2 6 6 LEU HB2 H 1.44 . 2 3 6 6 LEU HB3 H 1.79 . 2 4 6 6 LEU HD1 H 0.66 . 2 5 6 6 LEU HD2 H 0.58 . 2 6 6 6 LEU HG H 1.37 . 1 7 6 6 LEU CA C 58.0 . 1 8 6 6 LEU CB C 40.9 . 1 9 6 6 LEU CD1 C 26.5 . 1 10 6 6 LEU CD2 C 23.9 . 1 11 6 6 LEU CG C 26.5 . 1 12 7 7 LEU H H 8.97 . 1 13 7 7 LEU HA H 3.97 . 1 14 7 7 LEU HB2 H 1.64 . 2 15 7 7 LEU HB3 H 1.91 . 2 16 7 7 LEU HD1 H 0.96 . 2 17 7 7 LEU HD2 H 0.94 . 2 18 7 7 LEU HG H 1.62 . 1 19 7 7 LEU CA C 58.5 . 1 20 7 7 LEU CB C 41.0 . 1 21 7 7 LEU CD1 C 25.5 . 1 22 7 7 LEU CD2 C 23.0 . 1 23 7 7 LEU CG C 26.8 . 1 24 7 7 LEU N N 124.3 . 1 25 8 8 GLU H H 7.91 . 1 26 8 8 GLU HA H 4.04 . 1 27 8 8 GLU HB2 H 2.05 . 2 28 8 8 GLU HB3 H 2.31 . 2 29 8 8 GLU HG2 H 2.29 . 2 30 8 8 GLU HG3 H 2.40 . 2 31 8 8 GLU CA C 59.5 . 1 32 8 8 GLU CB C 29.2 . 1 33 8 8 GLU CG C 36.8 . 1 34 8 8 GLU N N 119.0 . 1 35 9 9 MET H H 8.52 . 1 36 9 9 MET HA H 4.03 . 1 37 9 9 MET HB2 H 2.52 . 2 38 9 9 MET HB3 H 2.52 . 2 39 9 9 MET HE H 2.00 . 1 40 9 9 MET HG2 H 2.42 . 2 41 9 9 MET HG3 H 2.78 . 2 42 9 9 MET CA C 59.9 . 1 43 9 9 MET CB C 36.0 . 1 44 9 9 MET CE C 17.6 . 1 45 9 9 MET CG C 32.9 . 1 46 9 9 MET N N 117.5 . 1 47 10 10 THR H H 8.47 . 1 48 10 10 THR HA H 3.55 . 1 49 10 10 THR HB H 4.49 . 1 50 10 10 THR HG1 H 5.21 . 1 51 10 10 THR HG2 H 1.21 . 1 52 10 10 THR CA C 67.2 . 1 53 10 10 THR CB C 68.5 . 1 54 10 10 THR CG2 C 22.6 . 1 55 10 10 THR N N 116.6 . 1 56 11 11 GLU H H 8.50 . 1 57 11 11 GLU HA H 3.91 . 1 58 11 11 GLU HB2 H 2.08 . 2 59 11 11 GLU HB3 H 1.97 . 2 60 11 11 GLU HG2 H 2.06 . 2 61 11 11 GLU HG3 H 2.46 . 2 62 11 11 GLU CA C 59.4 . 1 63 11 11 GLU CB C 29.2 . 1 64 11 11 GLU CG C 36.8 . 1 65 11 11 GLU N N 119.4 . 1 66 12 12 GLN H H 8.14 . 1 67 12 12 GLN HA H 4.10 . 1 68 12 12 GLN HB2 H 2.09 . 2 69 12 12 GLN HB3 H 2.26 . 2 70 12 12 GLN HE21 H 7.34 . 2 71 12 12 GLN HE22 H 6.70 . 2 72 12 12 GLN HG2 H 2.32 . 2 73 12 12 GLN HG3 H 2.50 . 2 74 12 12 GLN CA C 59.0 . 1 75 12 12 GLN CB C 27.8 . 1 76 12 12 GLN CG C 33.7 . 1 77 12 12 GLN N N 120.4 . 1 78 12 12 GLN NE2 N 110.1 . 1 79 13 13 MET H H 8.12 . 1 80 13 13 MET HA H 3.71 . 1 81 13 13 MET HB2 H 1.20 . 2 82 13 13 MET HB3 H 1.61 . 2 83 13 13 MET HE H 0.30 . 1 84 13 13 MET HG2 H 1.20 . 2 85 13 13 MET HG3 H 1.20 . 2 86 13 13 MET CA C 59.6 . 1 87 13 13 MET CB C 33.3 . 1 88 13 13 MET CE C 14.2 . 1 89 13 13 MET CG C 33.4 . 1 90 13 13 MET N N 118.5 . 1 91 14 14 ILE H H 8.04 . 1 92 14 14 ILE HA H 3.27 . 1 93 14 14 ILE HB H 1.75 . 1 94 14 14 ILE HD1 H 0.22 . 1 95 14 14 ILE HG12 H 1.53 . 2 96 14 14 ILE HG13 H 1.53 . 2 97 14 14 ILE HG2 H 0.80 . 1 98 14 14 ILE CA C 65.7 . 1 99 14 14 ILE CB C 38.0 . 1 100 14 14 ILE CD1 C 12.6 . 1 101 14 14 ILE CG1 C 29.6 . 1 102 14 14 ILE CG2 C 16.7 . 1 103 14 14 ILE N N 119.4 . 1 104 15 15 GLU H H 7.70 . 1 105 15 15 GLU HA H 4.11 . 1 106 15 15 GLU HB2 H 2.07 . 2 107 15 15 GLU HB3 H 2.16 . 2 108 15 15 GLU HG2 H 2.21 . 2 109 15 15 GLU HG3 H 2.38 . 2 110 15 15 GLU CA C 59.3 . 1 111 15 15 GLU CB C 29.2 . 1 112 15 15 GLU CG C 36.4 . 1 113 15 15 GLU N N 119.0 . 1 114 16 16 VAL H H 8.41 . 1 115 16 16 VAL HA H 3.53 . 1 116 16 16 VAL HB H 2.29 . 1 117 16 16 VAL HG1 H 0.78 . 2 118 16 16 VAL HG2 H 1.24 . 2 119 16 16 VAL CA C 66.6 . 1 120 16 16 VAL CB C 31.9 . 1 121 16 16 VAL CG1 C 22.9 . 1 122 16 16 VAL CG2 C 21.8 . 1 123 16 16 VAL N N 119.5 . 1 124 17 17 ALA H H 8.60 . 1 125 17 17 ALA HA H 4.08 . 1 126 17 17 ALA HB H 1.45 . 1 127 17 17 ALA CA C 54.7 . 1 128 17 17 ALA CB C 17.7 . 1 129 17 17 ALA N N 123.1 . 1 130 18 18 GLU H H 8.85 . 1 131 18 18 GLU HA H 3.99 . 1 132 18 18 GLU HB2 H 2.23 . 2 133 18 18 GLU HB3 H 1.96 . 2 134 18 18 GLU HG2 H 2.14 . 2 135 18 18 GLU HG3 H 2.68 . 2 136 18 18 GLU CA C 59.5 . 1 137 18 18 GLU CB C 29.7 . 1 138 18 18 GLU CG C 37.3 . 1 139 18 18 GLU N N 117.9 . 1 140 19 19 LYS H H 8.75 . 1 141 19 19 LYS HA H 4.15 . 1 142 19 19 LYS HB2 H 2.00 . 2 143 19 19 LYS HB3 H 1.74 . 2 144 19 19 LYS HD2 H 1.67 . 2 145 19 19 LYS HD3 H 1.67 . 2 146 19 19 LYS HE2 H 2.96 . 2 147 19 19 LYS HE3 H 2.96 . 2 148 19 19 LYS HG2 H 1.54 . 2 149 19 19 LYS HG3 H 1.69 . 2 150 19 19 LYS CA C 58.7 . 1 151 19 19 LYS CB C 31.9 . 1 152 19 19 LYS CD C 28.8 . 1 153 19 19 LYS CE C 42.1 . 1 154 19 19 LYS CG C 25.7 . 1 155 19 19 LYS N N 119.2 . 1 156 20 20 GLY H H 8.64 . 1 157 20 20 GLY HA2 H 3.79 . 2 158 20 20 GLY HA3 H 3.50 . 2 159 20 20 GLY CA C 46.4 . 1 160 20 20 GLY N N 110.3 . 1 161 21 21 ALA H H 8.55 . 1 162 21 21 ALA HA H 4.49 . 1 163 21 21 ALA HB H 1.68 . 1 164 21 21 ALA CA C 55.1 . 1 165 21 21 ALA CB C 17.3 . 1 166 21 21 ALA N N 125.3 . 1 167 22 22 ASP H H 7.66 . 1 168 22 22 ASP HA H 4.46 . 1 169 22 22 ASP HB2 H 2.72 . 2 170 22 22 ASP HB3 H 2.72 . 2 171 22 22 ASP CA C 56.9 . 1 172 22 22 ASP CB C 40.5 . 1 173 22 22 ASP N N 119.0 . 1 174 23 23 ARG H H 8.11 . 1 175 23 23 ARG HA H 4.00 . 1 176 23 23 ARG HB2 H 1.69 . 2 177 23 23 ARG HB3 H 1.82 . 2 178 23 23 ARG HD2 H 3.16 . 2 179 23 23 ARG HD3 H 3.16 . 2 180 23 23 ARG HG2 H 1.53 . 2 181 23 23 ARG HG3 H 1.53 . 2 182 23 23 ARG CA C 59.2 . 1 183 23 23 ARG CB C 30.7 . 1 184 23 23 ARG CD C 43.1 . 1 185 23 23 ARG CG C 27.0 . 1 186 23 23 ARG N N 121.8 . 1 187 24 24 TYR H H 8.46 . 1 188 24 24 TYR HA H 3.78 . 1 189 24 24 TYR HB2 H 2.11 . 2 190 24 24 TYR HB3 H 2.39 . 2 191 24 24 TYR HD1 H 6.42 . 3 192 24 24 TYR HD2 H 6.42 . 3 193 24 24 TYR HE1 H 6.24 . 3 194 24 24 TYR HE2 H 6.24 . 3 195 24 24 TYR CA C 60.9 . 1 196 24 24 TYR CB C 39.4 . 1 197 24 24 TYR CD1 C 132.7 . 1 198 24 24 TYR CE1 C 115.5 . 1 199 24 24 TYR N N 120.4 . 1 200 25 25 GLN H H 7.54 . 1 201 25 25 GLN HA H 3.75 . 1 202 25 25 GLN HB2 H 2.16 . 2 203 25 25 GLN HB3 H 2.19 . 2 204 25 25 GLN HG2 H 2.46 . 2 205 25 25 GLN HG3 H 2.46 . 2 206 25 25 GLN CA C 57.8 . 1 207 25 25 GLN CB C 28.4 . 1 208 25 25 GLN CG C 33.5 . 1 209 25 25 GLN N N 117.5 . 1 210 26 26 GLU H H 7.98 . 1 211 26 26 GLU HA H 4.01 . 1 212 26 26 GLU HB2 H 2.03 . 2 213 26 26 GLU HB3 H 2.03 . 2 214 26 26 GLU HG2 H 2.24 . 2 215 26 26 GLU HG3 H 2.34 . 2 216 26 26 GLU CA C 57.9 . 1 217 26 26 GLU CB C 29.7 . 1 218 26 26 GLU CG C 36.0 . 1 219 26 26 GLU N N 117.9 . 1 220 32 32 HIS HA H 4.62 . 1 221 32 32 HIS HB2 H 3.75 . 2 222 32 32 HIS HB3 H 3.75 . 2 223 32 32 HIS CA C 56.9 . 1 224 32 32 HIS CB C 64.0 . 1 225 33 33 SER HA H 4.61 . 1 226 33 33 SER HB2 H 3.73 . 2 227 33 33 SER HB3 H 3.73 . 2 228 33 33 SER CA C 56.9 . 1 229 33 33 SER CB C 64.0 . 1 230 34 34 TYR HA H 4.63 . 1 231 34 34 TYR HB2 H 2.76 . 2 232 34 34 TYR HB3 H 2.76 . 2 233 34 34 TYR HD1 H 7.43 . 3 234 34 34 TYR HD2 H 7.43 . 3 235 34 34 TYR HE1 H 6.99 . 3 236 34 34 TYR HE2 H 6.99 . 3 237 34 34 TYR CA C 56.9 . 1 238 34 34 TYR CB C 40.7 . 1 239 34 34 TYR CD1 C 133.5 . 1 240 34 34 TYR CE1 C 117.5 . 1 241 36 36 PHE HA H 3.91 . 1 242 36 36 PHE HB2 H 2.63 . 2 243 36 36 PHE HB3 H 3.15 . 2 244 36 36 PHE HD1 H 6.40 . 3 245 36 36 PHE HD2 H 6.40 . 3 246 36 36 PHE HE1 H 7.04 . 3 247 36 36 PHE HE2 H 7.04 . 3 248 36 36 PHE HZ H 7.13 . 1 249 36 36 PHE CA C 62.0 . 1 250 36 36 PHE CB C 39.2 . 1 251 36 36 PHE CD1 C 130.8 . 1 252 36 36 PHE CE1 C 130.5 . 1 253 36 36 PHE CZ C 129.1 . 1 254 37 37 PHE H H 8.09 . 1 255 37 37 PHE HA H 3.98 . 1 256 37 37 PHE HB2 H 3.13 . 2 257 37 37 PHE HB3 H 3.13 . 2 258 37 37 PHE HD1 H 7.45 . 3 259 37 37 PHE HD2 H 7.45 . 3 260 37 37 PHE HE1 H 7.47 . 3 261 37 37 PHE HE2 H 7.47 . 3 262 37 37 PHE HZ H 7.36 . 1 263 37 37 PHE CA C 61.6 . 1 264 37 37 PHE CB C 38.6 . 1 265 37 37 PHE CD1 C 131.2 . 1 266 37 37 PHE CE1 C 130.6 . 1 267 37 37 PHE CZ C 129.3 . 1 268 37 37 PHE N N 116.2 . 1 269 38 38 GLU H H 9.00 . 1 270 38 38 GLU HA H 4.13 . 1 271 38 38 GLU HB2 H 1.96 . 2 272 38 38 GLU HB3 H 2.06 . 2 273 38 38 GLU HG2 H 2.26 . 2 274 38 38 GLU HG3 H 2.36 . 2 275 38 38 GLU CA C 57.7 . 1 276 38 38 GLU CB C 30.6 . 1 277 38 38 GLU CG C 36.3 . 1 278 38 38 GLU N N 116.0 . 1 279 39 39 THR H H 7.39 . 1 280 39 39 THR HA H 4.28 . 1 281 39 39 THR HB H 4.08 . 1 282 39 39 THR HG2 H 0.94 . 1 283 39 39 THR CA C 64.1 . 1 284 39 39 THR CB C 70.0 . 1 285 39 39 THR CG2 C 22.5 . 1 286 39 39 THR N N 110.4 . 1 287 40 40 ILE H H 7.25 . 1 288 40 40 ILE HA H 2.57 . 1 289 40 40 ILE HB H 1.47 . 1 290 40 40 ILE HD1 H 0.77 . 1 291 40 40 ILE HG12 H 0.20 . 2 292 40 40 ILE HG13 H 1.13 . 2 293 40 40 ILE HG2 H 0.51 . 1 294 40 40 ILE CA C 65.8 . 1 295 40 40 ILE CB C 37.3 . 1 296 40 40 ILE CD1 C 13.6 . 1 297 40 40 ILE CG1 C 27.6 . 1 298 40 40 ILE CG2 C 16.6 . 1 299 40 40 ILE N N 120.9 . 1 300 41 41 LYS H H 8.40 . 1 301 41 41 LYS HA H 3.65 . 1 302 41 41 LYS HB2 H 1.60 . 2 303 41 41 LYS HB3 H 1.60 . 2 304 41 41 LYS CA C 59.0 . 1 305 41 41 LYS CB C 29.7 . 1 306 41 41 LYS N N 118.8 . 1 307 42 42 PRO HA H 4.28 . 1 308 42 42 PRO HB2 H 1.63 . 2 309 42 42 PRO HB3 H 2.17 . 2 310 42 42 PRO HD2 H 2.95 . 2 311 42 42 PRO HD3 H 3.32 . 2 312 42 42 PRO HG2 H 1.75 . 2 313 42 42 PRO HG3 H 1.75 . 2 314 42 42 PRO CA C 65.3 . 1 315 42 42 PRO CB C 30.2 . 1 316 42 42 PRO CD C 49.4 . 1 317 42 42 PRO CG C 27.9 . 1 318 43 43 ALA H H 6.79 . 1 319 43 43 ALA HA H 4.19 . 1 320 43 43 ALA HB H 1.31 . 1 321 43 43 ALA CA C 54.9 . 1 322 43 43 ALA CB C 18.0 . 1 323 43 43 ALA N N 119.5 . 1 324 44 44 VAL H H 8.38 . 1 325 44 44 VAL HA H 3.46 . 1 326 44 44 VAL HB H 2.15 . 1 327 44 44 VAL HG1 H 0.94 . 2 328 44 44 VAL HG2 H 0.91 . 2 329 44 44 VAL CA C 67.2 . 1 330 44 44 VAL CB C 31.5 . 1 331 44 44 VAL CG1 C 22.8 . 1 332 44 44 VAL CG2 C 21.1 . 1 333 44 44 VAL N N 120.5 . 1 334 45 45 GLU H H 8.41 . 1 335 45 45 GLU HA H 4.06 . 1 336 45 45 GLU HB2 H 2.00 . 2 337 45 45 GLU HB3 H 2.04 . 2 338 45 45 GLU HG2 H 2.26 . 2 339 45 45 GLU HG3 H 2.48 . 2 340 45 45 GLU CA C 59.6 . 1 341 45 45 GLU CB C 29.3 . 1 342 45 45 GLU CG C 36.9 . 1 343 45 45 GLU N N 118.4 . 1 344 46 46 GLU H H 8.39 . 1 345 46 46 GLU HA H 4.20 . 1 346 46 46 GLU HB2 H 2.03 . 2 347 46 46 GLU HB3 H 2.17 . 2 348 46 46 GLU HG2 H 2.31 . 2 349 46 46 GLU HG3 H 2.31 . 2 350 46 46 GLU CA C 58.9 . 1 351 46 46 GLU CB C 29.3 . 1 352 46 46 GLU CG C 35.9 . 1 353 46 46 GLU N N 118.8 . 1 354 47 47 ASN H H 7.70 . 1 355 47 47 ASN HA H 4.90 . 1 356 47 47 ASN HB2 H 2.72 . 2 357 47 47 ASN HB3 H 2.82 . 2 358 47 47 ASN HD21 H 7.49 . 2 359 47 47 ASN HD22 H 6.72 . 2 360 47 47 ASN CA C 57.1 . 1 361 47 47 ASN CB C 39.0 . 1 362 47 47 ASN N N 118.0 . 1 363 47 47 ASN ND2 N 112.5 . 1 364 48 48 ASP H H 8.81 . 1 365 48 48 ASP HA H 4.52 . 1 366 48 48 ASP HB2 H 2.88 . 2 367 48 48 ASP HB3 H 2.96 . 2 368 48 48 ASP CA C 57.8 . 1 369 48 48 ASP CB C 41.7 . 1 370 48 48 ASP N N 124.0 . 1 371 49 49 GLU H H 7.31 . 1 372 49 49 GLU HA H 4.07 . 1 373 49 49 GLU HB2 H 2.15 . 2 374 49 49 GLU HB3 H 2.15 . 2 375 49 49 GLU HG2 H 2.32 . 2 376 49 49 GLU HG3 H 2.45 . 2 377 49 49 GLU CA C 59.5 . 1 378 49 49 GLU CB C 29.3 . 1 379 49 49 GLU CG C 35.9 . 1 380 49 49 GLU N N 117.6 . 1 381 50 50 LEU H H 7.59 . 1 382 50 50 LEU HA H 4.16 . 1 383 50 50 LEU HB2 H 2.12 . 2 384 50 50 LEU HB3 H 1.68 . 2 385 50 50 LEU HD1 H 0.96 . 2 386 50 50 LEU HD2 H 1.00 . 2 387 50 50 LEU HG H 1.56 . 1 388 50 50 LEU CA C 58.0 . 1 389 50 50 LEU CB C 41.8 . 1 390 50 50 LEU CD1 C 22.1 . 1 391 50 50 LEU CD2 C 26.4 . 1 392 50 50 LEU CG C 26.8 . 1 393 50 50 LEU N N 119.5 . 1 394 51 51 ALA H H 8.62 . 1 395 51 51 ALA HA H 4.21 . 1 396 51 51 ALA HB H 1.63 . 1 397 51 51 ALA CA C 54.9 . 1 398 51 51 ALA CB C 18.6 . 1 399 51 51 ALA N N 118.9 . 1 400 52 52 ALA H H 8.41 . 1 401 52 52 ALA HA H 4.21 . 1 402 52 52 ALA HB H 1.59 . 1 403 52 52 ALA CA C 55.1 . 1 404 52 52 ALA CB C 18.4 . 1 405 52 52 ALA N N 119.4 . 1 406 53 53 ARG H H 8.07 . 1 407 53 53 ARG HA H 4.13 . 1 408 53 53 ARG HB2 H 2.11 . 2 409 53 53 ARG HB3 H 1.90 . 2 410 53 53 ARG HD2 H 3.27 . 2 411 53 53 ARG HD3 H 3.27 . 2 412 53 53 ARG HG2 H 1.92 . 2 413 53 53 ARG HG3 H 1.81 . 2 414 53 53 ARG CA C 59.1 . 1 415 53 53 ARG CB C 30.9 . 1 416 53 53 ARG CD C 43.5 . 1 417 53 53 ARG CG C 27.8 . 1 418 53 53 ARG N N 119.5 . 1 419 54 54 TRP H H 9.27 . 1 420 54 54 TRP HA H 3.83 . 1 421 54 54 TRP HB2 H 3.07 . 2 422 54 54 TRP HB3 H 3.44 . 2 423 54 54 TRP HD1 H 6.76 . 1 424 54 54 TRP HE1 H 9.82 . 1 425 54 54 TRP HE3 H 7.49 . 1 426 54 54 TRP HH2 H 6.74 . 1 427 54 54 TRP HZ2 H 6.99 . 1 428 54 54 TRP HZ3 H 7.02 . 1 429 54 54 TRP CA C 62.4 . 1 430 54 54 TRP CB C 29.2 . 1 431 54 54 TRP CD1 C 125.5 . 1 432 54 54 TRP CE3 C 120.2 . 1 433 54 54 TRP CH2 C 121.7 . 1 434 54 54 TRP CZ2 C 112.5 . 1 435 54 54 TRP CZ3 C 120.3 . 1 436 54 54 TRP N N 124.0 . 1 437 54 54 TRP NE1 N 128.4 . 1 438 55 55 ALA H H 8.81 . 1 439 55 55 ALA HA H 3.22 . 1 440 55 55 ALA HB H 1.52 . 1 441 55 55 ALA CA C 55.1 . 1 442 55 55 ALA CB C 17.5 . 1 443 55 55 ALA N N 120.8 . 1 444 56 56 GLU H H 7.46 . 1 445 56 56 GLU HA H 3.88 . 1 446 56 56 GLU HB2 H 2.04 . 2 447 56 56 GLU HB3 H 2.10 . 2 448 56 56 GLU HG2 H 2.22 . 2 449 56 56 GLU HG3 H 2.38 . 2 450 56 56 GLU CA C 59.2 . 1 451 56 56 GLU CB C 29.5 . 1 452 56 56 GLU CG C 36.0 . 1 453 56 56 GLU N N 114.8 . 1 454 57 57 GLY H H 7.65 . 1 455 57 57 GLY HA2 H 3.49 . 2 456 57 57 GLY HA3 H 3.85 . 2 457 57 57 GLY CA C 47.1 . 1 458 57 57 GLY N N 106.0 . 1 459 58 58 ALA H H 8.95 . 1 460 58 58 ALA HA H 3.64 . 1 461 58 58 ALA HB H 0.34 . 1 462 58 58 ALA CA C 54.5 . 1 463 58 58 ALA CB C 16.7 . 1 464 58 58 ALA N N 127.4 . 1 465 59 59 LEU H H 8.37 . 1 466 59 59 LEU HA H 3.92 . 1 467 59 59 LEU HB2 H 1.86 . 2 468 59 59 LEU HB3 H 1.31 . 2 469 59 59 LEU HD1 H 0.83 . 2 470 59 59 LEU HD2 H 0.84 . 2 471 59 59 LEU HG H 1.82 . 1 472 59 59 LEU CA C 57.3 . 1 473 59 59 LEU CB C 40.8 . 1 474 59 59 LEU CD1 C 25.2 . 1 475 59 59 LEU CD2 C 23.4 . 1 476 59 59 LEU CG C 27.0 . 1 477 59 59 LEU N N 116.8 . 1 478 60 60 GLU H H 7.31 . 1 479 60 60 GLU HA H 4.03 . 1 480 60 60 GLU HB2 H 2.04 . 2 481 60 60 GLU HB3 H 2.08 . 2 482 60 60 GLU HG2 H 2.29 . 2 483 60 60 GLU HG3 H 2.29 . 2 484 60 60 GLU CA C 58.8 . 1 485 60 60 GLU CB C 28.9 . 1 486 60 60 GLU CG C 35.6 . 1 487 60 60 GLU N N 119.0 . 1 488 61 61 LEU H H 7.70 . 1 489 61 61 LEU HA H 4.00 . 1 490 61 61 LEU HB2 H 2.04 . 2 491 61 61 LEU HB3 H 1.38 . 2 492 61 61 LEU HD1 H 0.85 . 2 493 61 61 LEU HD2 H 0.72 . 2 494 61 61 LEU HG H 1.44 . 1 495 61 61 LEU CA C 58.1 . 1 496 61 61 LEU CB C 41.4 . 1 497 61 61 LEU CD1 C 26.1 . 1 498 61 61 LEU CD2 C 23.8 . 1 499 61 61 LEU CG C 26.6 . 1 500 61 61 LEU N N 120.8 . 1 501 62 62 ILE H H 7.51 . 1 502 62 62 ILE HA H 4.04 . 1 503 62 62 ILE HB H 1.99 . 1 504 62 62 ILE HD1 H 0.70 . 1 505 62 62 ILE HG12 H 1.33 . 2 506 62 62 ILE HG13 H 1.33 . 2 507 62 62 ILE HG2 H 0.84 . 1 508 62 62 ILE CA C 63.2 . 1 509 62 62 ILE CB C 37.2 . 1 510 62 62 ILE CD1 C 14.0 . 1 511 62 62 ILE CG1 C 27.4 . 1 512 62 62 ILE CG2 C 17.6 . 1 513 62 62 ILE N N 110.7 . 1 514 63 63 LYS H H 7.52 . 1 515 63 63 LYS HA H 4.07 . 1 516 63 63 LYS HB2 H 1.95 . 2 517 63 63 LYS HB3 H 1.95 . 2 518 63 63 LYS HD2 H 1.64 . 2 519 63 63 LYS HD3 H 1.66 . 2 520 63 63 LYS HE2 H 2.90 . 2 521 63 63 LYS HE3 H 2.90 . 2 522 63 63 LYS HG2 H 1.34 . 2 523 63 63 LYS HG3 H 1.59 . 2 524 63 63 LYS CA C 58.6 . 1 525 63 63 LYS CB C 32.8 . 1 526 63 63 LYS CD C 29.6 . 1 527 63 63 LYS CG C 24.7 . 1 528 63 63 LYS N N 121.1 . 1 529 64 64 VAL H H 7.63 . 1 530 64 64 VAL HA H 3.95 . 1 531 64 64 VAL HB H 2.15 . 1 532 64 64 VAL HG1 H 0.94 . 2 533 64 64 VAL HG2 H 1.02 . 2 534 64 64 VAL CA C 63.9 . 1 535 64 64 VAL CB C 32.4 . 1 536 64 64 VAL CG1 C 21.0 . 1 537 64 64 VAL CG2 C 21.1 . 1 538 64 64 VAL N N 115.2 . 1 539 65 65 ARG H H 7.98 . 1 540 65 65 ARG HA H 4.39 . 1 541 65 65 ARG HB2 H 1.85 . 2 542 65 65 ARG HB3 H 1.85 . 2 543 65 65 ARG HD2 H 3.12 . 2 544 65 65 ARG HD3 H 3.12 . 2 545 65 65 ARG HG2 H 1.57 . 2 546 65 65 ARG HG3 H 1.57 . 2 547 65 65 ARG CA C 55.2 . 1 548 65 65 ARG CB C 31.5 . 1 549 65 65 ARG CD C 43.1 . 1 550 65 65 ARG CG C 27.1 . 1 551 65 65 ARG N N 118.3 . 1 552 66 66 ARG HA H 4.34 . 1 553 66 66 ARG HB2 H 1.79 . 2 554 66 66 ARG HB3 H 1.79 . 2 555 66 66 ARG CA C 54.9 . 1 556 66 66 ARG CB C 29.2 . 1 557 67 67 PRO HD2 H 3.77 . 2 558 67 67 PRO HD3 H 3.90 . 2 559 67 67 PRO HG2 H 2.08 . 2 560 67 67 PRO HG3 H 1.76 . 2 561 67 67 PRO CD C 50.8 . 1 562 67 67 PRO CG C 27.4 . 1 563 68 68 LYS HA H 4.10 . 1 564 68 68 LYS HB2 H 1.09 . 2 565 68 68 LYS HB3 H 1.23 . 2 566 68 68 LYS HD2 H 1.37 . 2 567 68 68 LYS HD3 H 1.42 . 2 568 68 68 LYS HE2 H 2.82 . 2 569 68 68 LYS HE3 H 2.82 . 2 570 68 68 LYS HG2 H 0.69 . 2 571 68 68 LYS HG3 H 1.03 . 2 572 68 68 LYS CA C 57.9 . 1 573 68 68 LYS CB C 34.1 . 1 574 68 68 LYS CD C 29.2 . 1 575 68 68 LYS CE C 41.7 . 1 576 68 68 LYS CG C 24.8 . 1 577 69 69 TYR HA H 4.76 . 1 578 69 69 TYR HB2 H 2.81 . 2 579 69 69 TYR HB3 H 3.44 . 2 580 69 69 TYR HD1 H 7.13 . 3 581 69 69 TYR HD2 H 7.13 . 3 582 69 69 TYR HE1 H 6.74 . 3 583 69 69 TYR HE2 H 6.74 . 3 584 69 69 TYR CA C 57.8 . 1 585 69 69 TYR CB C 39.6 . 1 586 69 69 TYR CD1 C 132.5 . 1 587 69 69 TYR CE1 C 117.6 . 1 588 70 70 VAL H H 6.95 . 1 589 70 70 VAL HA H 4.72 . 1 590 70 70 VAL HB H 1.82 . 1 591 70 70 VAL HG1 H 0.78 . 2 592 70 70 VAL HG2 H 0.96 . 2 593 70 70 VAL CA C 60.0 . 1 594 70 70 VAL CB C 34.5 . 1 595 70 70 VAL CG1 C 20.4 . 1 596 70 70 VAL CG2 C 21.0 . 1 597 70 70 VAL N N 115.4 . 1 598 71 71 HIS H H 7.87 . 1 599 71 71 HIS HA H 4.91 . 1 600 71 71 HIS HB2 H 3.04 . 2 601 71 71 HIS HB3 H 3.28 . 2 602 71 71 HIS HD2 H 7.01 . 1 603 71 71 HIS CA C 54.1 . 1 604 71 71 HIS CB C 33.7 . 1 605 71 71 HIS CD2 C 119.9 . 1 606 71 71 HIS N N 120.6 . 1 607 72 72 LYS H H 8.40 . 1 608 72 72 LYS HA H 3.68 . 1 609 72 72 LYS HB2 H 1.77 . 2 610 72 72 LYS HB3 H 1.85 . 2 611 72 72 LYS HD2 H 1.65 . 2 612 72 72 LYS HD3 H 1.65 . 2 613 72 72 LYS HE2 H 2.95 . 2 614 72 72 LYS HE3 H 2.95 . 2 615 72 72 LYS HG2 H 1.30 . 2 616 72 72 LYS HG3 H 1.30 . 2 617 72 72 LYS CA C 60.6 . 1 618 72 72 LYS CB C 32.8 . 1 619 72 72 LYS CD C 29.7 . 1 620 72 72 LYS CE C 41.8 . 1 621 72 72 LYS CG C 24.0 . 1 622 73 73 GLU H H 9.68 . 1 623 73 73 GLU HA H 4.17 . 1 624 73 73 GLU HB2 H 2.07 . 2 625 73 73 GLU HB3 H 2.12 . 2 626 73 73 GLU HG2 H 2.37 . 2 627 73 73 GLU HG3 H 2.48 . 2 628 73 73 GLU CA C 60.0 . 1 629 73 73 GLU CB C 28.3 . 1 630 73 73 GLU CG C 36.9 . 1 631 73 73 GLU N N 117.3 . 1 632 74 74 GLN H H 7.36 . 1 633 74 74 GLN HA H 4.18 . 1 634 74 74 GLN HB2 H 2.31 . 2 635 74 74 GLN HB3 H 2.20 . 2 636 74 74 GLN HE21 H 7.57 . 2 637 74 74 GLN HE22 H 6.94 . 2 638 74 74 GLN HG2 H 2.45 . 2 639 74 74 GLN HG3 H 2.31 . 2 640 74 74 GLN CA C 58.3 . 1 641 74 74 GLN CB C 28.3 . 1 642 74 74 GLN CG C 34.5 . 1 643 74 74 GLN N N 117.7 . 1 644 74 74 GLN NE2 N 110.0 . 1 645 75 75 ILE H H 7.53 . 1 646 75 75 ILE HA H 3.78 . 1 647 75 75 ILE HB H 2.11 . 1 648 75 75 ILE HD1 H 0.56 . 1 649 75 75 ILE HG12 H 1.33 . 2 650 75 75 ILE HG13 H 1.10 . 2 651 75 75 ILE HG2 H 0.76 . 1 652 75 75 ILE CA C 64.1 . 1 653 75 75 ILE CB C 36.8 . 1 654 75 75 ILE CD1 C 12.8 . 1 655 75 75 ILE CG1 C 28.4 . 1 656 75 75 ILE CG2 C 18.1 . 1 657 75 75 ILE N N 120.6 . 1 658 76 76 GLU H H 8.34 . 1 659 76 76 GLU HA H 3.97 . 1 660 76 76 GLU HB2 H 2.08 . 2 661 76 76 GLU HB3 H 2.08 . 2 662 76 76 GLU HG2 H 2.18 . 2 663 76 76 GLU HG3 H 2.51 . 2 664 76 76 GLU CA C 59.2 . 1 665 76 76 GLU CB C 29.7 . 1 666 76 76 GLU CG C 37.3 . 1 667 76 76 GLU N N 117.5 . 1 668 77 77 ALA H H 7.39 . 1 669 77 77 ALA HA H 4.37 . 1 670 77 77 ALA HB H 1.52 . 1 671 77 77 ALA CA C 53.4 . 1 672 77 77 ALA CB C 18.8 . 1 673 77 77 ALA N N 118.6 . 1 674 78 78 VAL H H 7.62 . 1 675 78 78 VAL HA H 3.72 . 1 676 78 78 VAL HB H 2.43 . 1 677 78 78 VAL HG1 H 0.56 . 2 678 78 78 VAL HG2 H 1.34 . 2 679 78 78 VAL CA C 66.7 . 1 680 78 78 VAL CB C 31.5 . 1 681 78 78 VAL CG1 C 22.1 . 1 682 78 78 VAL CG2 C 24.8 . 1 683 78 78 VAL N N 116.8 . 1 684 79 79 LYS H H 8.57 . 1 685 79 79 LYS HA H 3.78 . 1 686 79 79 LYS HB2 H 1.92 . 2 687 79 79 LYS HB3 H 2.06 . 2 688 79 79 LYS HD2 H 1.68 . 2 689 79 79 LYS HD3 H 1.72 . 2 690 79 79 LYS HE2 H 2.99 . 2 691 79 79 LYS HE3 H 2.99 . 2 692 79 79 LYS HG2 H 1.48 . 2 693 79 79 LYS HG3 H 1.52 . 2 694 79 79 LYS CA C 61.8 . 1 695 79 79 LYS CB C 31.5 . 1 696 79 79 LYS CD C 29.3 . 1 697 79 79 LYS CE C 41.9 . 1 698 79 79 LYS CG C 24.9 . 1 699 79 79 LYS N N 119.5 . 1 700 80 80 ASP H H 8.35 . 1 701 80 80 ASP HA H 4.49 . 1 702 80 80 ASP HB2 H 2.63 . 2 703 80 80 ASP HB3 H 2.66 . 2 704 80 80 ASP CA C 57.3 . 1 705 80 80 ASP CB C 40.0 . 1 706 80 80 ASP N N 115.5 . 1 707 81 81 ASN H H 7.69 . 1 708 81 81 ASN HA H 4.54 . 1 709 81 81 ASN HB2 H 2.80 . 2 710 81 81 ASN HB3 H 2.46 . 2 711 81 81 ASN HD21 H 8.02 . 2 712 81 81 ASN HD22 H 6.98 . 2 713 81 81 ASN CA C 55.5 . 1 714 81 81 ASN CB C 38.6 . 1 715 81 81 ASN N N 118.3 . 1 716 81 81 ASN ND2 N 111.9 . 1 717 82 82 PHE H H 9.62 . 1 718 82 82 PHE HA H 4.06 . 1 719 82 82 PHE HB2 H 2.97 . 2 720 82 82 PHE HB3 H 3.12 . 2 721 82 82 PHE HD1 H 6.92 . 3 722 82 82 PHE HD2 H 6.92 . 3 723 82 82 PHE HE1 H 7.45 . 3 724 82 82 PHE HE2 H 7.45 . 3 725 82 82 PHE HZ H 7.17 . 1 726 82 82 PHE CA C 60.9 . 1 727 82 82 PHE CB C 39.5 . 1 728 82 82 PHE CD1 C 130.5 . 1 729 82 82 PHE CE1 C 130.5 . 1 730 82 82 PHE CZ C 129.9 . 1 731 82 82 PHE N N 121.4 . 1 732 83 83 LEU H H 8.21 . 1 733 83 83 LEU HA H 3.90 . 1 734 83 83 LEU HB2 H 1.95 . 2 735 83 83 LEU HB3 H 1.58 . 2 736 83 83 LEU HD1 H 1.03 . 2 737 83 83 LEU HD2 H 0.88 . 2 738 83 83 LEU HG H 2.06 . 1 739 83 83 LEU CA C 57.0 . 1 740 83 83 LEU CB C 40.4 . 1 741 83 83 LEU CD1 C 22.1 . 1 742 83 83 LEU CD2 C 25.3 . 1 743 83 83 LEU CG C 27.0 . 1 744 83 83 LEU N N 117.4 . 1 745 84 84 GLU H H 7.66 . 1 746 84 84 GLU HA H 4.15 . 1 747 84 84 GLU HB2 H 2.09 . 2 748 84 84 GLU HB3 H 2.09 . 2 749 84 84 GLU HG2 H 2.30 . 2 750 84 84 GLU HG3 H 2.30 . 2 751 84 84 GLU CA C 59.5 . 1 752 84 84 GLU CB C 28.7 . 1 753 84 84 GLU CG C 35.9 . 1 754 84 84 GLU N N 121.5 . 1 755 85 85 LEU H H 8.10 . 1 756 85 85 LEU HA H 3.60 . 1 757 85 85 LEU HB2 H 1.56 . 2 758 85 85 LEU HB3 H 1.79 . 2 759 85 85 LEU HD1 H 0.70 . 2 760 85 85 LEU HD2 H 0.72 . 2 761 85 85 LEU HG H 1.47 . 1 762 85 85 LEU CA C 59.3 . 1 763 85 85 LEU CB C 41.8 . 1 764 85 85 LEU CD1 C 28.3 . 1 765 85 85 LEU CD2 C 23.4 . 1 766 85 85 LEU CG C 26.8 . 1 767 85 85 LEU N N 121.7 . 1 768 86 86 VAL H H 8.22 . 1 769 86 86 VAL HA H 3.10 . 1 770 86 86 VAL HB H 1.87 . 1 771 86 86 VAL HG1 H 0.81 . 2 772 86 86 VAL HG2 H 0.29 . 2 773 86 86 VAL CA C 67.2 . 1 774 86 86 VAL CB C 31.5 . 1 775 86 86 VAL CG1 C 22.0 . 1 776 86 86 VAL CG2 C 21.2 . 1 777 86 86 VAL N N 118.4 . 1 778 87 87 LEU H H 8.45 . 1 779 87 87 LEU HA H 3.96 . 1 780 87 87 LEU HB2 H 1.62 . 2 781 87 87 LEU HB3 H 2.01 . 2 782 87 87 LEU HD1 H 0.93 . 2 783 87 87 LEU HD2 H 1.01 . 2 784 87 87 LEU HG H 1.54 . 1 785 87 87 LEU CA C 59.1 . 1 786 87 87 LEU CB C 42.3 . 1 787 87 87 LEU CD1 C 23.1 . 1 788 87 87 LEU CD2 C 25.7 . 1 789 87 87 LEU CG C 26.8 . 1 790 87 87 LEU N N 120.2 . 1 791 88 88 GLN H H 9.35 . 1 792 88 88 GLN HA H 4.18 . 1 793 88 88 GLN HB2 H 2.41 . 2 794 88 88 GLN HB3 H 2.23 . 2 795 88 88 GLN HE21 H 7.55 . 2 796 88 88 GLN HE22 H 6.83 . 2 797 88 88 GLN HG2 H 2.37 . 2 798 88 88 GLN HG3 H 2.37 . 2 799 88 88 GLN CA C 57.3 . 1 800 88 88 GLN CB C 25.4 . 1 801 88 88 GLN CG C 34.1 . 1 802 88 88 GLN N N 114.9 . 1 803 88 88 GLN NE2 N 111.3 . 1 804 89 89 SER H H 8.68 . 1 805 89 89 SER HA H 4.08 . 1 806 89 89 SER HB2 H 4.00 . 2 807 89 89 SER HB3 H 4.00 . 2 808 89 89 SER CA C 61.9 . 1 809 89 89 SER CB C 62.2 . 1 810 89 89 SER N N 117.5 . 1 811 90 90 TYR H H 7.33 . 1 812 90 90 TYR HA H 4.32 . 1 813 90 90 TYR HB2 H 2.76 . 2 814 90 90 TYR HB3 H 2.59 . 2 815 90 90 TYR HD1 H 6.39 . 3 816 90 90 TYR HD2 H 6.39 . 3 817 90 90 TYR HE1 H 6.13 . 3 818 90 90 TYR HE2 H 6.13 . 3 819 90 90 TYR CA C 59.7 . 1 820 90 90 TYR CB C 41.4 . 1 821 90 90 TYR CD1 C 132.4 . 1 822 90 90 TYR CE1 C 116.4 . 1 823 90 90 TYR N N 116.0 . 1 824 91 91 VAL H H 7.73 . 1 825 91 91 VAL HA H 4.01 . 1 826 91 91 VAL HB H 1.93 . 1 827 91 91 VAL HG1 H 0.91 . 2 828 91 91 VAL HG2 H 0.85 . 2 829 91 91 VAL CA C 62.6 . 1 830 91 91 VAL CB C 32.7 . 1 831 91 91 VAL CG1 C 21.7 . 1 832 91 91 VAL CG2 C 20.2 . 1 833 91 91 VAL N N 110.5 . 1 834 92 92 HIS H H 8.60 . 1 835 92 92 HIS HA H 4.28 . 1 836 92 92 HIS HB2 H 2.91 . 2 837 92 92 HIS HB3 H 3.26 . 2 838 92 92 HIS HD2 H 6.96 . 1 839 92 92 HIS CA C 56.0 . 1 840 92 92 HIS CB C 29.2 . 1 841 92 92 HIS CD2 C 117.7 . 1 842 92 92 HIS N N 114.5 . 1 843 93 93 HIS H H 8.35 . 1 844 93 93 HIS HA H 4.78 . 1 845 93 93 HIS HB2 H 3.28 . 2 846 93 93 HIS HB3 H 3.28 . 2 847 93 93 HIS HD2 H 6.89 . 1 848 93 93 HIS CA C 57.6 . 1 849 93 93 HIS CB C 31.9 . 1 850 93 93 HIS CD2 C 118.6 . 1 851 93 93 HIS N N 118.2 . 1 852 94 94 ILE H H 7.47 . 1 853 94 94 ILE HA H 4.37 . 1 854 94 94 ILE HB H 1.96 . 1 855 94 94 ILE HD1 H 0.88 . 1 856 94 94 ILE HG12 H 1.53 . 2 857 94 94 ILE HG13 H 1.28 . 2 858 94 94 ILE HG2 H 1.04 . 1 859 94 94 ILE CA C 60.9 . 1 860 94 94 ILE CB C 39.6 . 1 861 94 94 ILE CD1 C 14.1 . 1 862 94 94 ILE CG1 C 27.2 . 1 863 94 94 ILE CG2 C 17.7 . 1 864 94 94 ILE N N 111.4 . 1 865 95 95 HIS H H 6.99 . 1 866 96 96 LYS HA H 4.04 . 1 867 96 96 LYS HD2 H 1.96 . 2 868 96 96 LYS HD3 H 1.96 . 2 869 96 96 LYS HE2 H 2.93 . 2 870 96 96 LYS HE3 H 2.93 . 2 871 96 96 LYS HG2 H 1.49 . 2 872 96 96 LYS HG3 H 1.49 . 2 873 97 97 LYS HA H 4.13 . 1 874 97 97 LYS HB2 H 1.96 . 2 875 97 97 LYS HB3 H 1.96 . 2 876 97 97 LYS HD2 H 1.63 . 2 877 97 97 LYS HD3 H 1.63 . 2 878 97 97 LYS HE2 H 2.98 . 2 879 97 97 LYS HE3 H 2.98 . 2 880 97 97 LYS HG2 H 1.49 . 2 881 97 97 LYS HG3 H 1.49 . 2 882 97 97 LYS CA C 59.4 . 1 883 97 97 LYS CB C 32.0 . 1 884 97 97 LYS CD C 28.8 . 1 885 97 97 LYS CE C 42.1 . 1 886 97 97 LYS CG C 25.2 . 1 887 98 98 ARG H H 7.15 . 1 888 98 98 ARG HA H 4.15 . 1 889 98 98 ARG HB2 H 1.74 . 2 890 98 98 ARG HB3 H 1.74 . 2 891 98 98 ARG HD2 H 3.17 . 2 892 98 98 ARG HD3 H 3.17 . 2 893 98 98 ARG HG2 H 1.61 . 2 894 98 98 ARG HG3 H 1.61 . 2 895 98 98 ARG CA C 57.9 . 1 896 98 98 ARG CB C 28.6 . 1 897 98 98 ARG CD C 43.1 . 1 898 98 98 ARG CG C 27.0 . 1 899 98 98 ARG N N 118.5 . 1 900 99 99 PHE H H 8.26 . 1 901 99 99 PHE HA H 3.45 . 1 902 99 99 PHE HB2 H 2.20 . 2 903 99 99 PHE HB3 H 2.53 . 2 904 99 99 PHE HD1 H 6.45 . 3 905 99 99 PHE HD2 H 6.45 . 3 906 99 99 PHE HE1 H 7.08 . 3 907 99 99 PHE HE2 H 7.08 . 3 908 99 99 PHE HZ H 6.67 . 1 909 99 99 PHE CA C 62.7 . 1 910 99 99 PHE CB C 39.2 . 1 911 99 99 PHE CD1 C 130.2 . 1 912 99 99 PHE CE1 C 130.0 . 1 913 99 99 PHE CZ C 128.2 . 1 914 99 99 PHE N N 119.1 . 1 915 100 100 LYS H H 8.50 . 1 916 100 100 LYS HA H 3.98 . 1 917 100 100 LYS HB2 H 1.97 . 2 918 100 100 LYS HB3 H 2.02 . 2 919 100 100 LYS HD2 H 1.71 . 2 920 100 100 LYS HD3 H 1.74 . 2 921 100 100 LYS HE2 H 3.00 . 2 922 100 100 LYS HE3 H 3.00 . 2 923 100 100 LYS HG2 H 1.46 . 2 924 100 100 LYS HG3 H 1.52 . 2 925 100 100 LYS CA C 59.3 . 1 926 100 100 LYS CB C 31.9 . 1 927 100 100 LYS CD C 29.0 . 1 928 100 100 LYS CE C 42.0 . 1 929 100 100 LYS CG C 24.8 . 1 930 100 100 LYS N N 121.7 . 1 931 101 101 ASP H H 8.15 . 1 932 101 101 ASP HA H 4.29 . 1 933 101 101 ASP HB2 H 2.61 . 2 934 101 101 ASP HB3 H 2.87 . 2 935 101 101 ASP CA C 57.3 . 1 936 101 101 ASP CB C 39.9 . 1 937 101 101 ASP N N 119.8 . 1 938 102 102 ILE H H 8.22 . 1 939 102 102 ILE HA H 3.69 . 1 940 102 102 ILE HB H 1.55 . 1 941 102 102 ILE HD1 H 0.57 . 1 942 102 102 ILE HG12 H 1.06 . 2 943 102 102 ILE HG13 H 1.37 . 2 944 102 102 ILE HG2 H 0.66 . 1 945 102 102 ILE CA C 65.0 . 1 946 102 102 ILE CB C 37.7 . 1 947 102 102 ILE CD1 C 13.3 . 1 948 102 102 ILE CG1 C 27.4 . 1 949 102 102 ILE CG2 C 17.6 . 1 950 102 102 ILE N N 118.8 . 1 951 103 103 THR H H 7.93 . 1 952 103 103 THR HA H 3.48 . 1 953 103 103 THR HB H 4.09 . 1 954 103 103 THR HG1 H 3.26 . 1 955 103 103 THR HG2 H 1.00 . 1 956 103 103 THR CA C 67.3 . 1 957 103 103 THR CB C 67.7 . 1 958 103 103 THR CG2 C 21.1 . 1 959 103 103 THR N N 117.9 . 1 960 104 104 GLU H H 8.47 . 1 961 104 104 GLU HA H 3.92 . 1 962 104 104 GLU HB2 H 1.98 . 2 963 104 104 GLU HB3 H 2.08 . 2 964 104 104 GLU HG2 H 2.20 . 2 965 104 104 GLU HG3 H 2.46 . 2 966 104 104 GLU CA C 59.5 . 1 967 104 104 GLU CB C 29.2 . 1 968 104 104 GLU CG C 36.7 . 1 969 104 104 GLU N N 118.9 . 1 970 105 105 SER H H 7.84 . 1 971 105 105 SER HA H 4.29 . 1 972 105 105 SER HB2 H 3.96 . 2 973 105 105 SER HB3 H 3.96 . 2 974 105 105 SER CA C 60.9 . 1 975 105 105 SER CB C 62.7 . 1 976 105 105 SER N N 114.2 . 1 977 106 106 VAL H H 8.29 . 1 978 106 106 VAL HA H 3.69 . 1 979 106 106 VAL HB H 2.15 . 1 980 106 106 VAL HG1 H 0.85 . 2 981 106 106 VAL HG2 H 1.06 . 2 982 106 106 VAL CA C 66.3 . 1 983 106 106 VAL CB C 31.9 . 1 984 106 106 VAL CG1 C 22.0 . 1 985 106 106 VAL CG2 C 24.5 . 1 986 106 106 VAL N N 122.1 . 1 987 107 107 LEU H H 8.56 . 1 988 107 107 LEU HA H 3.90 . 1 989 107 107 LEU HB2 H 1.98 . 2 990 107 107 LEU HB3 H 1.44 . 2 991 107 107 LEU HD1 H 0.87 . 2 992 107 107 LEU HD2 H 0.98 . 2 993 107 107 LEU HG H 1.72 . 1 994 107 107 LEU CA C 58.3 . 1 995 107 107 LEU CB C 41.2 . 1 996 107 107 LEU CD1 C 24.3 . 1 997 107 107 LEU CD2 C 25.7 . 1 998 107 107 LEU CG C 27.4 . 1 999 107 107 LEU N N 117.5 . 1 1000 108 108 TYR H H 8.45 . 1 1001 108 108 TYR HA H 4.17 . 1 1002 108 108 TYR HB2 H 3.28 . 2 1003 108 108 TYR HB3 H 3.17 . 2 1004 108 108 TYR HD1 H 7.13 . 3 1005 108 108 TYR HD2 H 7.13 . 3 1006 108 108 TYR HE1 H 6.81 . 3 1007 108 108 TYR HE2 H 6.81 . 3 1008 108 108 TYR CA C 61.8 . 1 1009 108 108 TYR CB C 37.9 . 1 1010 108 108 TYR CD1 C 132.7 . 1 1011 108 108 TYR CE1 C 117.4 . 1 1012 108 108 TYR N N 119.0 . 1 1013 109 109 THR H H 7.80 . 1 1014 109 109 THR HA H 3.86 . 1 1015 109 109 THR HB H 4.18 . 1 1016 109 109 THR HG2 H 1.23 . 1 1017 109 109 THR CA C 66.8 . 1 1018 109 109 THR CB C 67.8 . 1 1019 109 109 THR CG2 C 23.0 . 1 1020 109 109 THR N N 116.5 . 1 1021 110 110 LEU H H 8.51 . 1 1022 110 110 LEU HA H 3.90 . 1 1023 110 110 LEU HB2 H 0.98 . 2 1024 110 110 LEU HB3 H 1.61 . 2 1025 110 110 LEU HD1 H 0.37 . 2 1026 110 110 LEU HD2 H 0.02 . 2 1027 110 110 LEU HG H 1.63 . 1 1028 110 110 LEU CA C 58.5 . 1 1029 110 110 LEU CB C 41.3 . 1 1030 110 110 LEU CD1 C 22.4 . 1 1031 110 110 LEU CD2 C 26.6 . 1 1032 110 110 LEU CG C 26.5 . 1 1033 110 110 LEU N N 121.0 . 1 1034 111 111 HIS H H 8.44 . 1 1035 111 111 HIS HA H 4.00 . 1 1036 111 111 HIS HB2 H 2.98 . 2 1037 111 111 HIS HB3 H 3.00 . 2 1038 111 111 HIS HD2 H 6.95 . 1 1039 111 111 HIS CA C 60.9 . 1 1040 111 111 HIS CB C 29.7 . 1 1041 111 111 HIS CD2 C 119.7 . 1 1042 111 111 HIS N N 116.3 . 1 1043 112 112 ALA H H 7.92 . 1 1044 112 112 ALA HA H 4.13 . 1 1045 112 112 ALA HB H 1.40 . 1 1046 112 112 ALA CA C 55.0 . 1 1047 112 112 ALA CB C 17.6 . 1 1048 112 112 ALA N N 122.9 . 1 1049 113 113 VAL H H 8.30 . 1 1050 113 113 VAL HA H 3.54 . 1 1051 113 113 VAL HB H 2.52 . 1 1052 113 113 VAL HG1 H 0.98 . 2 1053 113 113 VAL HG2 H 1.20 . 2 1054 113 113 VAL CA C 67.2 . 1 1055 113 113 VAL CB C 31.0 . 1 1056 113 113 VAL CG1 C 20.7 . 1 1057 113 113 VAL CG2 C 24.7 . 1 1058 113 113 VAL N N 119.0 . 1 1059 114 114 LYS H H 8.22 . 1 1060 114 114 LYS HA H 3.81 . 1 1061 114 114 LYS HB2 H 1.80 . 2 1062 114 114 LYS HB3 H 2.05 . 2 1063 114 114 LYS HD2 H 1.49 . 2 1064 114 114 LYS HD3 H 1.49 . 2 1065 114 114 LYS HE2 H 2.88 . 2 1066 114 114 LYS HE3 H 2.88 . 2 1067 114 114 LYS HG2 H 1.33 . 2 1068 114 114 LYS HG3 H 1.50 . 2 1069 114 114 LYS CA C 60.8 . 1 1070 114 114 LYS CB C 31.5 . 1 1071 114 114 LYS CD C 29.5 . 1 1072 114 114 LYS CE C 41.3 . 1 1073 114 114 LYS CG C 25.2 . 1 1074 114 114 LYS N N 120.6 . 1 1075 115 115 ASP H H 8.18 . 1 1076 115 115 ASP HA H 4.30 . 1 1077 115 115 ASP HB2 H 2.14 . 2 1078 115 115 ASP HB3 H 2.63 . 2 1079 115 115 ASP CA C 56.8 . 1 1080 115 115 ASP CB C 39.6 . 1 1081 115 115 ASP N N 118.8 . 1 1082 116 116 GLU H H 7.99 . 1 1083 116 116 GLU HA H 4.06 . 1 1084 116 116 GLU HB2 H 2.12 . 2 1085 116 116 GLU HB3 H 2.17 . 2 1086 116 116 GLU HG2 H 2.25 . 2 1087 116 116 GLU HG3 H 2.35 . 2 1088 116 116 GLU CA C 58.4 . 1 1089 116 116 GLU CB C 29.0 . 1 1090 116 116 GLU CG C 35.8 . 1 1091 116 116 GLU N N 120.8 . 1 1092 117 117 ILE H H 8.37 . 1 1093 117 117 ILE HA H 3.61 . 1 1094 117 117 ILE HB H 1.94 . 1 1095 117 117 ILE HD1 H 0.74 . 1 1096 117 117 ILE HG12 H 0.96 . 2 1097 117 117 ILE HG13 H 1.93 . 2 1098 117 117 ILE HG2 H 0.95 . 1 1099 117 117 ILE CA C 64.8 . 1 1100 117 117 ILE CB C 38.6 . 1 1101 117 117 ILE CD1 C 14.4 . 1 1102 117 117 ILE CG1 C 29.3 . 1 1103 117 117 ILE CG2 C 17.6 . 1 1104 117 117 ILE N N 119.7 . 1 1105 118 118 ALA H H 7.72 . 1 1106 118 118 ALA HA H 4.25 . 1 1107 118 118 ALA HB H 1.50 . 1 1108 118 118 ALA CA C 52.9 . 1 1109 118 118 ALA CB C 18.7 . 1 1110 118 118 ALA N N 119.9 . 1 1111 119 119 ARG H H 7.45 . 1 1112 119 119 ARG HA H 4.11 . 1 1113 119 119 ARG HB2 H 2.03 . 2 1114 119 119 ARG HB3 H 1.88 . 2 1115 119 119 ARG HD2 H 3.26 . 2 1116 119 119 ARG HD3 H 3.26 . 2 1117 119 119 ARG HG2 H 1.73 . 2 1118 119 119 ARG HG3 H 1.82 . 2 1119 119 119 ARG CA C 57.6 . 1 1120 119 119 ARG CB C 31.0 . 1 1121 119 119 ARG CD C 43.7 . 1 1122 119 119 ARG CG C 27.3 . 1 1123 119 119 ARG N N 118.4 . 1 1124 120 120 GLU H H 8.89 . 1 1125 120 120 GLU HA H 4.28 . 1 1126 120 120 GLU HB2 H 1.97 . 2 1127 120 120 GLU HB3 H 2.11 . 2 1128 120 120 GLU HG2 H 2.28 . 2 1129 120 120 GLU HG3 H 2.31 . 2 1130 120 120 GLU CA C 57.6 . 1 1131 120 120 GLU CB C 30.1 . 1 1132 120 120 GLU CG C 36.0 . 1 1133 120 120 GLU N N 114.9 . 1 1134 123 123 ARG HA H 4.28 . 1 1135 123 123 ARG HB2 H 1.76 . 2 1136 123 123 ARG HB3 H 1.85 . 2 1137 123 123 ARG HD2 H 3.16 . 2 1138 123 123 ARG HD3 H 3.16 . 2 1139 123 123 ARG HG2 H 1.58 . 2 1140 123 123 ARG HG3 H 1.58 . 2 1141 123 123 ARG CA C 56.0 . 1 1142 123 123 ARG CB C 30.1 . 1 1143 123 123 ARG CD C 43.1 . 1 1144 123 123 ARG CG C 27.0 . 1 1145 124 124 LEU HA H 4.34 . 1 1146 124 124 LEU HB2 H 1.59 . 2 1147 124 124 LEU HB3 H 1.59 . 2 1148 124 124 LEU HD1 H 0.91 . 2 1149 124 124 LEU HD2 H 0.86 . 2 1150 124 124 LEU HG H 1.60 . 1 1151 124 124 LEU CA C 55.1 . 1 1152 124 124 LEU CB C 42.2 . 1 1153 124 124 LEU CD1 C 23.9 . 1 1154 124 124 LEU CD2 C 24.8 . 1 1155 124 124 LEU CG C 27.0 . 1 1156 125 125 GLU HA H 4.18 . 1 1157 125 125 GLU HB2 H 1.83 . 2 1158 125 125 GLU HB3 H 1.90 . 2 1159 125 125 GLU HG2 H 2.11 . 2 1160 125 125 GLU HG3 H 2.18 . 2 1161 125 125 GLU CA C 56.5 . 1 1162 125 125 GLU CB C 30.1 . 1 1163 125 125 GLU CG C 35.9 . 1 stop_ save_